(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate

C8H14N2O — CID 20756963

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate
SMILESC/N=C/OC1=CCN(C)CC1
InChIInChI=1S/C8H14N2O/c1-9-7-11-8-3-5-10(2)6-4-8/h3,7H,4-6H2,1-2H3/b9-7+
InChIKeyDMCJYHOTNDRCML-VQHVLOKHSA-N
MW154.21 g/mol
LogP0.88
Rot. Bonds2

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate

(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate (PubChem CID 20756963) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate
PubChem CID20756963
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate
SMILESC/N=C/OC1=CCN(C)CC1
InChIInChI=1S/C8H14N2O/c1-9-7-11-8-3-5-10(2)6-4-8/h3,7H,4-6H2,1-2H3/b9-7+
InChIKeyDMCJYHOTNDRCML-VQHVLOKHSA-N
XLogP0.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate (CID 20756963) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate is C/N=C/OC1=CCN(C)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate?
The InChIKey is DMCJYHOTNDRCML-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-7-11-8-3-5-10(2)6-4-8/h3,7H,4-6H2,1-2H3/b9-7+.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate has a molecular weight of 154.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-methylmethanimidate is sourced from PubChem (CID 20756963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).